From d5b25f6a8ca66299630a2ad9ff074d914d917235 Mon Sep 17 00:00:00 2001 From: Tanish Yelgoe <23110328@iitgn.ac.in> Date: Fri, 13 Dec 2024 15:13:35 +0530 Subject: [PATCH] Replaced atan2 with np.arctan2 for consistency in package/MDAnalysis/analysis/nuclinfo.py --- package/MDAnalysis/analysis/nuclinfo.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/analysis/nuclinfo.py b/package/MDAnalysis/analysis/nuclinfo.py index 173a200bb5..39be7191d8 100644 --- a/package/MDAnalysis/analysis/nuclinfo.py +++ b/package/MDAnalysis/analysis/nuclinfo.py @@ -93,7 +93,7 @@ """ import numpy as np -from math import pi, sin, cos, atan2, sqrt, pow +from math import pi, sin, cos, sqrt, pow from MDAnalysis.lib import mdamath @@ -368,7 +368,7 @@ def phase_as(universe, seg, i): + (data4 * cos(2 * 2 * pi * (4 - 1.) / 5.)) + (data5 * cos(2 * 2 * pi * (5 - 1.) / 5.))) * 2. / 5. - phase_ang = atan2(B, A) * 180. / pi + phase_ang = np.arctan2(B, A) * 180. / pi return phase_ang % 360